SMDD-Bench: leaderboard

Small molecule drug design agent benchmark with sandboxed Python, Boltz structure prediction, and ADMET tooling for computationally verifiable chemistry tasks.

Metric: Pass Rate (%). Source: smddbench.com. Saturation forecast: Around August 2027. 7 models tracked.

Top models

#ModelScoreOverall rank
1GPT-5.4 (Medium)40.2#79 (GPT-5.4)
2Gemini 3.1 Pro (Preview)39#58
3Claude Sonnet 4.638#90
4Kimi K2.5 (Thinking)30.3#144 (Kimi K2.5)
5Qwen 3.5 397B A17B27.5#146
6DeepSeek V3.224.3#205
7MiniMax-M2.719.3#258

No result here: #3 Claude Opus 5.5, #6 GPT-6 Astra, #7 GPT-6.1 Sol.

Interactive version: theaggregate.ai/benchmark?slug=smdd-bench · How It Works · Data refreshed daily, snapshot 2026-10-20.